SCHEMBL3554566

SCHEMBL3554566

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
CYP19A1 P11511 1/20 0.54
HTR6 P50406 5/20 0.53
SLC16A3 O15427 3/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
PRMT1 Q99873 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
LIMK2 P53671 1/20 0.49
WDR5 P61964 1/20 0.49
POLB P06746 1/20 0.48
CCR2 P41597 1/20 0.47
KCNA5 P22460 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3561338 0.92 HTR6 (0.62) MAPTHTR6SLC16A3ALDH1A1KEAP1
SCHEMBL3551639 0.90 SLC16A3 (0.59) MAPTHTR6SLC16A3MEN1KMT2A
SCHEMBL3556257 0.89 SLC16A3 (0.67) MAPTHTR6SLC16A3MEN1KMT2A
SCHEMBL3556527 0.89 ALDH1A1 (0.56) HTR6SLC16A3MEN1KMT2AALDH1A1
SCHEMBL3561071 0.88 HTR6 (0.51) MAPTHTR6SLC16A3MEN1KMT2A
SCHEMBL3562226 0.88 ALDH1A1 (0.58) MAPTHTR6SLC16A3MEN1KMT2A
SCHEMBL3553918 0.87 PRMT1 (0.59) HTR6MEN1KMT2AALDH1A1PRMT1
SCHEMBL3562892 0.87 METAP2 (0.57) MAPTHTR6SLC16A3ALDH1A1KEAP1
SCHEMBL3555114 0.87 CA12 (0.58) CYP19A1HTR6SLC16A3MEN1KMT2A
SCHEMBL3560463 0.86 POLB (0.62) MAPTCYP19A1HTR6SLC16A3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 MAPT 4130/4885CYP19A1 351/4885HTR6 2387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.